PROGRAM AGENDA - Accelrysaccelrys.com/.../biovia-forum/2017/eu/pdf/print-agenda.pdfdevelopment of scientific software for Life Science Research. Discngine has a strong expertise in

PROGRAMAGENDA

2 BIOVIA FORUM 2017 3DS.COM/BIOVIA 3

Explore our collaborative scientific experiences in the interactive software exhibition

Station 1ScienceCloud/Notebook: Secure cloud-based project management for a broad range of scientific workflows, using a suite of hosted applications.

Station 2Birth of an Antibody: Explore the future of BIOVIA applications on the 3DEXPERIENCE Platform as we take you on a journey to discover a new antibody drug for use against breast cancer.

Station 3One Lab: Research, develop and test products with one solution that integrates resources, processes, and data within and across labs.

Station 4Made to Cure: Achieve self-service, on-demand aggregation of disparate process and quality data sources for ad hoc manufacturing analytics and process improvement.

Station 5Biologics: A complete collaborative suite for modeling and simulating complex biosystems for designing personalized therapeutic strategies.

Station 6Formulations Development: Witness how BIOVIA applications, coupled with the 3DEXPERIENCE Platform, can transform the future of novel formulation and reformulation R&D.

Station 7CISPro: Track and report chemicals and supplies to streamline your chemical inventory management processes while meeting safety and regulatory requirements.

Station 8Pipeline Pilot: Visual programming environment for scientific data pipelining and powerful machine learning

Station 9Materials Innovation: Develop a deeper understanding of your materials properties by running multiscale models of products from the subatomic to bulk scale.

Station 10DocCompliance: Create, manage, and securely store documents, reports and records to ensure enterprise-wide consistency and compliance.

Station 11ProcessCompliance: Manage all quality content and processes in one unified solution to standardize and automate compliance and operational processes.

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EVENT SPONSOR EXHIBITION

DiscngineDiscngine is a software and consulting firm based in Paris, France. The company is specialized in the integration and development of scientific software for Life Science Research.

Discngine has a strong expertise in R&D business processes and provides IT services notably on the following technologies: BIOVIA Foundation and Pipeline Pilot, Oracle Database, molecular modeling tools and Spotfire. With its experienced consultants, Discngine is able to implement end-to-end projects of any size and scope with its own resources.

As a software editor, Discngine offers a full suite of tools for sample management, data acquisition and decision making. More information on discngine.com

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Have questions for members of The BIOVIA Executive Team? Schedule a 1 on 1 meeting by emailing [email protected] or come see Aisling at the BIOVIA Forum information desk located on the third floor outside the Grand Ballroom.

Jack ChildsGlobal Vice President, Value Engineering & Professional Services, Dassault Systèmes BIOVIAJack Childs is responsible for BIOVIA’s build-out of enterprise services to help customers digitalize their R&D and manufacturing operations. Before

joining BIOVIA, Jack led transformation activities at SAP, General Motors and Exxon Chemical over 38 years. Focused on driving operational excellence across the innovation cycle, Jack brings a wealth of experience to customers in developing digital strategies that transform how scientists and engineers work and collaborate. Jack’s current priorities include:

• Transformation of R&D lab operations management• Build-out of molecular characteristic modeling and simulation (chemicals and biologics)• Strategies for partner research and development integration and extended business models• Globalization of R&D centers on a science-based enterprise solution• Operations optimization for biologics and complex production processes

John McCarthyVice President, Field Applications, Dassault Systèmes BIOVIA Center of Excellence Over the past 25 years, John McCarthy has worked with leading companies in the life science, consumer product and chemicals industries, delivering software-based solutions that accelerate innovation.

During that time companies have transformed the way they bring new products to market by illuminating dark data, breaking down the barriers between research, development and manufacturing and generally taking the “work” out of the workflow. As a result, companies have become more efficient in reusing information rather than re-inventing it—and scientists in the lab have described “life as just less painful.” During his tenure at BIOVIA, John has held a number of positions in Product Management, Professional Services and Field Applications. His passion is working with people to understand and resolve their most pressing scientific and business challenges.

Patrick MerlatVice President, Consumer Packaged Goods & Retail Industry R&D, Dassault Systèmes Patrick MERLAT has held various positions within Dassault Systèmes R&D with a continuous passion for innovation, technology and customer relationships throughout his career. After graduating in 1991 from

the French Aeronautics and Space Engineering School Sup’Aero, Patrick joined the R&D organisation of Dassault Systèmes CATIA where he managed software development and quality engineering groups. In the 2000s, Patrick joined the newly created DELMIA brand of Dassault Systèmes. Here he led the Numerical Control and Process Planning groups of DELMIA’s Digital Manufacturing & Production organization. In 2011 Patrick moved to Dassault Systèmes’ CPG-Retail Industry R&D organization where he has been defining and delivering 3DEXPERIENCE industry solutions for packaging and formulation processes, working with Lead Brand Manufacturers and Retailers in the Industry.

Reza SadeghiChief Strategy Officer, Dassault Systèmes BIOVIAReza Sadeghi has over 20 years of experience in executive management, portfolio planning, product development, mergers and acquisitions and deep knowledge of the Product Lifecycle Management (PLM) software

industry. After beginning his engineering career in Aerospace, Reza moved on to multiple executive roles at MARC Analysis Research Corporation and MSC Software, both of which are developers of PLM software with a focus on modeling and simulation. As chief technology officer at MSC Software, Reza was responsible for product strategy and a large modeling and simulation portfolio with a global team covering the US, Europe and Asia. He is a regular speaker at a number of international events including the International Association for the Engineering Analysis Community (NAFEMS) and is a member of the US Department of Energy national review board. As well as holding a number of advisory board positions, Reza maintains an adjunct professorship at University of California, San Diego, where he has taught graduate level courses for more than 10 years. He lives in La Jolla, CA.

Mohamed Sharaf, Ph.D.Senior Industry Consultant, Energy Process and Utilities, Dassault SystèmesMohamed Sharaf is an experienced consultant in the Energy, Process and Utilities industry. Prior to joining Dassault Systèmes, he managed several industrial research projects on damage mechanics, toughness and

formability of modern (pipeline) steels in an academic context at RWTH Aachen University, Germany. His main research focus has been on the micromechanical modeling of steel fatigue. In 2015, he received the globally recognized Project Management Professional (PMP) credential through the Project Management Institute (PMI). Since obtaining his Ph.D. degree, Mohamed has pursued a professional career in strategic consulting for the international oil and chemical industries.


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MEET OUR EXPERTSMEET OUR EXPERTS

Daniel DeAlmeidaLead Product ManagerExpertise: BIOVIA LES, LIMS, EM, Compose & Capture, Metrology & Equipment.

Neil EcclesSenior Product ManagerNeil manages BIOVIA biologics-focused applications including Biological Registration and the Biotherapeutics Workbench as well as Pipeline Pilot Biology toolkits such as Next Generation Sequencing and Sequence Analysis.

Wesley FlakeSenior Field Application EngineerExpertise: Quality Process Management, EDMS, Controlled Document Management, Compliance, eCTD, IDMP

Jack GibsonField Application EngineerExpertise: Workbook, Request, Compose, Capture, Inventory Management, Environmental Monitoring

Mats KihlenProduct Manager BIOVIA Notebook20 year experience of computational chemistry and cheminformatics in drug discovery research.

Bjoern Loeprecht, Ph.D.Advisory Applications ScientistExpertise: Workbook, Notebook, LIMS, Foundation, Request, CISPro, or any other topic in lab- and chem-informatics

She Yen LokAdvisory Field Application ScientistExpertise: BIOVIA LES, BIOVIA LIMS and BIOVIA EBR

Dr. Frédéric BarberisPrincipal Field Applications ScientistExpertise: ELNs, Insight, SAR, data mining, Inventory/Reagent/Sample management and Informatics

Dr. Hugues-Olivier BertrandSenior Director BIOVIA Pre-Sales – Senior Fellow & Head of the BIOVIA Science CouncilExpertise: Protein Modeling, Simulations of Macromolecules, Virtual Screening and Structure/Fragment Based Drug Design, BioPLM & BioDiscovery

Frederic BostDirector Product ManagementExpertise: ScienceCloud, Drug Discovery, External Collaborations, Cloud Research Informatics, Cloud Operations and Security

Jannise BuckleySr. Product ManagerExpertise: Pipeline Pilot, Chemistry, Product Development and Launch

Andrei CaracotiSenior Manager, ScienceCloudExpertise: ScienceCloud, Pipeline Pilot, Notebook, Assay

Johan M. Carlsson, Ph.D.Senior Field Application ScientistExpertise: Materials Studio and Notebook

Dennis CurranDirector of Product ManagementExpertise: Laboratory Automation, Drug Discovery through Development and Quality Control operations, Pharmaceutical Method Development and Tech Transfer, Computer Systems Validation, ELN Software, Usability, and Data Utilization.

Tom SimonsSenior Solutions ConsultantExpertise: Discoverant

Adrian Stevens, Ph.D.Director Product Management, Predictive SciencesExpertise: Discovery Studio, QSAR Workbench, Pipeline Pilot App Builder

Eddy Vande WaterPreSales DirectorProduct Expertise: Pipeline Pilot, BIOVIA Foundation, 3DEXPERIENCE Platform

Cyril WalshSenior Solutions ConsultantExpertise: DocCompliance, ProcessCompliance

Tien Luu, Ph.D.Principal Scientific SpecialistExpertise: Pharmacophore Modelling, Ligand Design, Virtual Screening, Structure Based Drug Design and QSAR.

Dr. Marc MeunierPrincipal Field Application ScientistMeunier’s research interests include the study of nanodielectrics, the simulation of polymeric materials used in membrane technology, pharmaceutical materials science and more recently the growing field of materials informatics.

Andrew Mott, Ph.D.Advisory Field Applications ScientistExpertise: Notebook and CISPro

David Nicolaides, Ph.D.Principal Field Applications ScientistExpertise: ELNs, Pipeline Pilot/BIOVIA Foundation, QSAR, Informatics

Guillaume PaillardProduct Manager, Life Science Cloud SolutionsExpertise: ScienceCloud, Pipeline Pilot, externalization and collaboration

Selcan RowlesSenior Solutions ConsultantExpertise: Pipeline Pilot: installation, protocol configuration and BIOVIA Experiment: integration and reporting.

Matt SageSenior Product ManagerExpertise: Chemical Representation and Depiction, Searching, Decision Support, Scientific Excel add-ins, Registration, Inventory Management, Pipeline Pilot Chemistry

Schedule a 1 on 1 meeting or private demo with one of the BIOVIA Product Experts. Contact [email protected] to schedule your meeting.


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09:0

0 The Intelligent FactoryMatt Harrison, IT Director, AstraZeneca

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3DEXPERIENCE Business Innovation: Digital Continuity in CPG from Molecule to the new Consumers

Patrick Merlat, Vice President, Consumer Packaged Goods & Retail Industry R&D, Dassault Systèmes

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Day in the Life of 3DEXPERIENCE Scientists: How the 3DEXPERIENCE Platform transforms scientific

innovation and collaborationBIOVIA Portfolio Managers

10:3

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Capital Facilities: Organizational and Operational Mitigation Capabilities

Mohamed Sharaf, Ph.D., Senior Industry Consultant, Energy Process and Utilities, Dassault Systèmes

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Optimizing Scientific Business Health with Collaborative Value Assessments and BIOVIA Benchmarking

Barbara Holtz, Ph.D., Senior Business Consultant, Value Engineering, Dassault Systèmes BIOVIA

11:5

0 Accelerating Innovation with a Scientifically Aware Platform (Biological, Chemical and Materials)

Reza Sadeghi, Chief Strategy Officer, Dassault Systèmes BIOVIA

12:3

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AGENDA: MONDAY - 5 JUNE12

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BIOVIA Compose and BIOVIA Capture – Recipe and Method

Authoring and Execution

Room 6

Building Pipeline Pilot Protocols for New Users (Part 1)

Room 7

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Evening Free for Networking

AGENDA: TUESDAY - 6 JUNE

08:0

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Integrating BIOVIA Workbook with Pipeline Pilot

(Part 1)

Room 6

Building Pipeline Pilot Protocols for New Users

(Part 2)

Room 7

Analytics and Machine Learning in Pipeline Pilot

(Part 1)

Room 8

Advanced Pipeline Pilot for Software Developers

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Room 1 - 3

13:0

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Integrating BIOVIA Workbook with Pipeline Pilot

(Part 2)

Room 6

Using PilotScript in Pipeline Pilot

Room 7

Analytics and Machine Learning in Pipeline Pilot

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Room 8

Advanced Pipeline Pilot for Software Developers

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Laboratory Informatics IT Tech Track Collaborative and Predictive Science Quality, Compliance and Manufacturing

Rooms 5 - 6 Rooms 7 - 8 Grand Ballroom 1 Rooms 1 - 3

13:3

0 Lab Informatics Overview

Dennis Curran, BIOVIA

Awesome New Things You Can Do With Pipeline Pilot

Jannise Buckley, BIOVIA

Lightning Round Application Updates: Insight and Biological Registration

Neil Eccles & Matt Sage, BIOVIA

BIOVIA Roadmap - Overview of Upcoming Releases and Product Enhancements

Ken Hayward, BIOVIA

14:0

0 Scientific Decision Making in the Age of EXPERIENCE

Dennis Curran, BIOVIA

Installation and Configuration of Laboratory Equipment

Daniel DeAlmeida, BIOVIA

Using Patent-Derived Information in Drug Discovery Made Easier - An Example Use Case for the Open

PHACTS Pipeline Pilot Component Collection

Stefan Senger, GlaxoSmithKline

Data Management of Environmental Monitoring in the Biotech Industry Using

Pipeline Pilot and Discoverant

Guillaume Ebener, Merck Serono

14:3

0 Lab Informatics - An Approach to Bridging the Support Gap

Alfred Stefan, AbbVie

Hands-Free Administration In BIOVIA Foundation

Mike Wilson, BIOVIA

Accurate Antibody Molecular Modeling Enables Epitope Determination

Guy Georges, Roche

BIOVIA One Quality for Operational Excellence

Daniela Jansen, BIOVIA

15:0

0 COFFEE BREAK Exhibition

15:3

0 2018 Sneak Peek - Laboratory Analysis

Mats Kihlen, BIOVIAPipeline Pilot Administrator Best Practices

Eddy Vande Water, BIOVIA

Effective Machine Learning for Big Data and Small Data

David Nicolaides, BIOVIA

Overview and New Features of BIOVIA QUMAS EQMS and EDMS (formerly QUMAS ProcessCompliance 4.0 and MyQUMAS app)

Chris Frost, BIOVIA

16:0

0 ELN in a Big Data Perspective

Morten Meldgaard, Chr. Hansen A/S

Sequences and Tautomers - Challenges During Compound Registration and Searching

Wolfgang Klute & Nick Tomkinson, AstraZeneca

Challenges and Lessons Learned of Using QUMAS EQMS and EDMS During Periods of

Rapid Change in a GCP Compliant Environment

Sarah Howard, hVIVO

16:3

0 7 Years of Using BIOVIA Notebook at Karolinska Institutet

Cecilia Martinsson Björkdahl, Karolinska Institutet

Get Ready for the Cloud! A Strategy for Increasing Agility and Lowering Cost in

Research and Lab Informatics

Guillaume Pillard, BIOVIA

Searching Chemical Structures in Patents Using Bayesian Statistics

Willem van Hoorn, Exscientia

BIOVIA Enterprise Implementation Best Practices

Ken Forman, BIOVIA

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BIOVIA NETWORKING DINNER Warner Brothers Studios

Coaches Depart from Hotel Lobby at 17:30 Casual Attire

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AGENDA: THURSDAY - 8 JUNE

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Laboratory Informatics IT Tech Track Collaborative and Predictive Science Quality, Compliance and Manufacturing

Rooms 5 - 6 Rooms 7 - 8 Grand Ballroom 1 Rooms 1 - 3

09:0

0 Managing Inventory and Ensuring Compliance

Andrew Mott, BIOVIA

Taxonomy and Ontology Fundamentals for the Laboratory

Mike Wilson, BIOVIA

Automated Compound Collection Enhancement: How Pipeline Pilot Preserved our Sanity

Darren Green, GlaxoSmithKline

Enterprise Analytics Initiatives

Tim Jeffers, BIOVIA

09:3

0 2018 Sneak Peak - Lab Management

Daniel DeAlmeida, BIOVIA

Hybrid-Cloud: Integrating Workflows Between On Prem and Cloud

Guillaume Paillard, BIOVIA

What to Make Next? Guiding Drug Design With in silico Modeling

Adrian Stevens, BIOVIA

Leveraging Connected Data to Drive Quality and Impact Change

10:0

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Murray Robertson, University of Strathclyde

Cloud Security 101

Frederic Bost, BIOVIA

Building an Analytical Interface to Allow The Querying of Genotypic and Phenotypic Information

Dave Brown, Genomics England

Using Discoverant with Process Compliance to Trigger Deviations

Chris Frost & Larry Fiegland, BIOVIA

10:3

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11:0

0 2018 Sneak Peak - Laboratory Execution

Dan DeAlmeida , BIOVIAPipeline Pilot Developer Tips and Tricks

Eddy Vande Water, BIOVIA

BIOVIA Insight and Query Services Part of Lundbeck’s Research Data Access Strategy

Ludovic Otterbein & Plamen Petrov, Lundbeck

Using Discoverant with DocCompliance to Generate Templated Management/Monitoring Reports

Chris Frost & Larry Fiegland, BIOVIA

11:3

0 BIOVIA Panel Discussion – Digital Transformation in the Lab a Reality Check

Moderated by: Daniela Jansen

Implementation of Automated Processes at Philip Morris International R&D Using Pipeline Pilot

Elyette Martin & Pavel Pospisil, Philip Morris(Session in Grand Ballroom 1)

Implementation of Automated Processes at Philip Morris International R&D Using Pipeline Pilot

Elyette Martin & Pavel Pospisil, Philip Morris

Ask the Experts - Panel of BIOVIA Experts Discussing Hot Topics and Current Challenges

BIOVIA Panelists: Ken Forman, Ken Hayward, Larry Fiegland and Chris Frost

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Inspirations to Make the Dream a RealityJohn McCarthy, Vice President, Field Applications, Dassault Systèmes BIOVIA Center of ExcellenceGrand Ballroom 2 - 3

12:3

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to CPG & Retail enterprises the Perfect Disruptive Innovation System to encompass these new society and business challenges.

10:00Plenary SessionDay in the Life of 3DEXPERIENCE Scientists: How the 3DEXPERIENCE Platform transforms scientific innovation and collaborationGrand Ballroom 2 - 3

BIOVIA Portfolio Managers

The key to the success of any scientific endeavor is the creativity and productivity of the stakeholders involved. We will demonstrate how the 3DEXPERIENCE Platform provides a digital and machine learning continuum that dramatically transforms what scientists do during research, development, quality, and manufacturing stages of a project with respect to multidisciplinary collaboration, learning from experiments, developing robust models, building knowledge bases, and ultimately developing actionable intelligence to inform decisions and accelerate innovation.

11:00Plenary SessionCapital Facilities: Organizational and Operational Mitigation CapabilitiesGrand Ballroom 2 - 3

Mohamed Sharaf, Ph.D.Senior Industry Consultant, Energy Process and Utilities, Dassault Systèmes

Major facilities processing and transporting fluids like sour gas or chemical products face very complex challenges. These industries need to increase the pace of innovation, improve

WEDNESDAY 7 JUNE, 201709:00Plenary SessionThe Intelligent FactoryGrand Ballroom 2 - 3

Matt HarrisonIT Director, AstraZeneca

How AstraZeneca is developing it’s thinking about the creation of a digital model of a pharmaceutical process during development and how that could be used to drive an intelligent, self-optimising, autonomous manufacture.

09:35Plenary Session3DEXPERIENCE Business Innovation: Digital Continuity in CPG from Molecule to the new ConsumersGrand Ballroom 2 - 3

Patrick MerlatVice President, Consumer Packaged Goods & Retail Industry R&D, Dassault Systèmes

Increased consumer behavioral changes have accelerated the need for CPG companies to think differently their innovation processes end-to-end. Mega trends such as new cities, mobility disruptions, multi channels shopping trips, Y-generation require more agility, product & packaging personalization, and an increased focus on health and wellness.With CPG-Retail Industry Solution Experiences and the 3DEXPERIENCE platform, Dassault Systèmes proposes

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11:50Plenary SessionAccelerating innovation with a scientifically aware platform (Biological, Chemical and Materials)Grand Ballroom 2 - 3

Reza SadeghiChief Strategy Officer, Dassault Systèmes BIOVIA

Designing and creating products requires the skills and talents of many specialists, all working from the same information and sharing the same goals. The Dassault Systèmes 3DEXPERIENCE platform helps to ensure that all stakeholders are working from a single official definition of the product requirements. The platform also supports product design traceability from concept through scientific discovery and fabrication.Dassault Systèmes BIOVIA is at the leading edge of this research movement, offering biology, chemistry and materials modeling software on several scales, including nano and molecular, as well as collaborative discovery, laboratory management and fabrication process management tools. Intrinsically multiscale natural substances are organized in layered hierarchies, from the nanometric scale to the micro-, meso- and macroscale. Changes in any of these layers can modify structural and material properties. Multiscale and multiphysical modeling techniques implemented on the 3DEXPERIENCE platform help us to computationally model advantageous designs with parameters that we can fine-tune for novel applications.

efficiencies through organizational and infrastructure improvements, and continually align product supply with the changing demands of customers and the public. Complexity may also arise from operational mitigation issues such as corrosion. Specifically-tailored to these industries, the 3DEXPERIENCE platform improves collaboration and ensures capital projects are properly attended throughout their lifecycle. For the operation of capital facilities, Dassault Systèmes offers unique capabilities for in-silico fitness-for-service assessment and facilitates adoption of the scientific advances in multiphysics simulation to link chemical composition information to component performance.

11:30Plenary SessionOptimizing Scientific Business Health with Collaborative Value Assessments and BIOVIA BenchmarkingGrand Ballroom 2 - 3

Barbara Holtz, Ph.D.Senior Business Consultant, Value Engineering, Dassault Systèmes BIOVIA

The health of your scientific business is the critical advantage that allows you to deliver successful science-based products to your patients. BIOVIA collaborative value assessment tools and the BIOVIA


Laboratory InformaticsLabinformatics OverviewRooms 5 - 6

Dennis CurranBIOVIA

BIOVIA’s Laboratory Informatics capabilities of the Unified Lab Management suite provides an end to end unified experience for research, development and quality control labs across various scientific industries. Learn about the new capabilities, get an overview of the upcoming releases and see their impact on the laboratory organization.

Quality, Compliance and ManufacturingBIOVIA Roadmap - Overview of Upcoming Releases and Product EnhancementsRooms 1 - 3

Ken HaywardBIOVIA

BIOVIA is delivering substantial enhancements to existing products in the Quality and Manufacturing space, innovative new user experiences and responding to customer requests on functional changes. The future roadmap will be presented along with details of recent releases and the integration with the 3DEXPERIENCE platform.

13:30Collaborative and Predictive ScienceLightning Round Application Updates - Insight and Biological RegistrationGrand Ballroom 1

Neil Eccles & Matt SageBIOVIA

In this session we will hear from product experts in Collaborative and Predictive Science. Topics will include:• the usage of newer methods such

as HELM and SCSR now available in Biological Registration and the wider BIOVIA informatics stack.

• scalable and faster visualization with tighter integration across the Laboratory Informatics and Collaborative Science applications.

• the future direction of drug design software in BIOVIA, showcasing case studies to provide proof-points of our strategy.

IT Tech TrackAwesome New Things You Can Do With Pipeline PilotRooms 7 - 8

Jannise BuckleyBIOVIA

With Pipeline Pilot 2017 R2, there’s a lot you can do. Come to this interactive talk with plenty of demos to learn how to develop visually pleasing HTML5 Dashboards, automate data storage in the cloud, easily access Clarivate Analytics Cortellis APIs for competitive intelligence, import Python modules with our new cross-platform Python and automate chemical text mining.

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Laboratory InformaticsScientific Decision Making in the Age of EXPERIENCERooms 5 - 6

Dennis CurranBIOVIA

The pace of innovation can be impacted by many factors, both internal and external to an organization. When a decision maker is pressed at business critical moments they need to have the most up-to-date and highest certainty information available. BIOVIA captures, processes, and stores a significant amount of the scientific data for our customer’s innovative programs. We have also observed that the routing and escalation of scientific data and information through the decision process encounters many barriers that slow and degrade the necessary content. Decision makers need fast and timely access to a broad amount of information that needs to be align with decision criteria and targeted project outcomes.This session will review the challenges facing the decision makers of scientific programs and introduce how our new IP Inquiry capability provides a solution. To deliver IP Inquiry BIOVIA has joined with EXALEAD to provide a 3DEXPERIENCE solution that broadens the scope of information available, advances understanding with in-line analytics, and promotes collaboration through the use of the 3DEXPERIENCE platform.

14:00Collaborative and Predictive ScienceUsing Patent-Derived Information in Drug Discovery Made Easier - An Example Use Case for the Open PHACTS Pipeline Pilot Component CollectionGrand Ballroom 1

Stefan SengerGlaxoSmithKline

The Open PHACTS Discovery Platform (http://www.openphacts.org) brings together pharmacological data resources in an integrated, interoperable infrastructure that enables scientists to easily study the relationships between compounds, targets, pathways and diseases. The platform can be queried directly via the Open PHACTS API, or more conveniently by using the Open PHACTS component collection in Pipeline Pilot. This talk aims to showcase the capabilities of the Open PHACTS component collection by looking at an example use case where patent-derived information (from SureChEMBL) is used to address questions that are relevant to drug discovery.

IT Tech TrackInstallation and Configuration of Laboratory EquipmentRooms 7 - 8

Daniel DeAlmeidaBIOVIA

With all the different types of equipment in the laboratory, the Unified Lab Management suite provides a way to manage and interactive with each them. This talk covers how to define and manage equipment in the Unified Lab Management suite, and the capabilities provided.




14:30Collaborative and Predictive ScienceAccurate Antibody Molecular Modeling Enables Epitope DeterminationGrand Ballroom 1

Guy GeorgesRoche

Antibody discovery and engineering importance for pharmaceutical industries has grown significantly following Biotech’s pioneering work over the last 2 decades. During the past few years, modeling tool for antibody have been developed; all taking advantage of a huge structural knowledge existing in the protein database (PDB). The number of structures containing an antibody VH-VL motif is around 2350 today compared to 1800 two years ago. However, the antibody repertoire diversity is around 10 billion and specific maturation extends it to 1013.From an antibody structural database dissected in heavy and light chains, and in frameworks and CDRs (Complement Determining Regions) segments and comprising a numbering system that enables novel features in searching templates during modeling, our modeling tool is automatically producing models of high quality at a very low computational cost. An accurate prediction of the relative VH-VL orientation ensures the model quality. The VH-VL orientation prediction is also used to predict the CDR grafting success during humanization. A technology based on neighborhood search is used to predict the position of side chains; this represents a fantastic add-on on the classical homology modeling (sequence-based) approach.Despite excellent progress in antibody modeling, a great need to understand much more deeply the rules governing the specific recognition of antigen remains acute. One way to compensate is to use different Antibody format

14:00 (Cont.)Quality, Compliance and ManufacturingData Management of Environmental Monitoring in the Biotech Industry Using Pipeline Pilot and DiscoverantRooms 1 - 3

Guillaume EbenerMerck

Today’s management of environmental data is complex. Several unique data need to be grouped and analyzed together in order to have a complete picture of environmental trends. The goal of this work for the biomedical industry is defining proactive actions to ensure and maintain a compliant manufacturing environment.This presentation will show you a practical use of Pipeline Pilot, and Discoverant a well-known data management tool that could help in environmental data management. Using this application offers direct representation of data patterns on plant maps, and simple access to graphical trends analysis. Pipeline Pilot, which could also be used for Utilities monitoring, enables considerable time saving and risk error reduction.

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integrated IT support whereas in contradiction to this the industry trend is to industrialize IT support.Nowadays Lab Informatics has come into focus as a potential solution and as a means of bridging the support gap. This talk offers an insight into the questions and challenges Lab Informatics support faces and discusses Abbvie’s current strategy for addressing these.

Quality, Compliance and ManufacturingBIOVIA One Quality for Operational ExcellenceRooms 1 - 3

Daniela JansenBIOVIA

If Quality is approached in a holistic manner covering the end-to-end product lifecycle, organizations will not only be able to ensure product and process quality and compliance but improve operational performance throughout the enterprise. BIOVIA One Quality covers BIOVIA’s quality related capabilities and digital continuity in this “Total Quality” context. Learn in this session which capabilities are included, which challenges they address, how they are connected and what value users can expect as well as how to maximize your current investment.

dealing with multi-specificity and specific geometries. Another one would be to increase drastically the number of Ab structures, especially Ab-AG complex ones. A third approach consists in predicting in silico the specific mode of action of the candidate, i.e. predict the complex structure.

IT Tech TrackHands-Free Administration In BIOVIA FoundationRooms 7 - 8

Mike WilsonBIOVIA

Learn how you can reduce and even eliminate costs associated with administering accounts in a BIOVIA Foundation/Unified Lab deployment. Beginning with the 2017 R2 release you can automatically synchronize user accounts and group membership from LDAP directories (including Active Directory). This session will discuss the concepts of delegating account management to an Identity Provider and provide tips and tricks to setting up the synchronization.

Laboratory InformaticsLab Informatics - An Approach to Bridging the Support GapRooms 5 - 6

Alfred StefanAbbVie

In R+D at Abbvie IT support is challenged by different, sometimes contractionary demands and industry trends. Thus for example changes in work habits leads to the need for a more exchangeable and much more open network, whereas the growing data security sensitivity leads to more and more restrictions being placed on it.Another example is that ever increasing automation and technology requires a much more informed and well-


integrated Lab Informatics environment allows users the fast access to the available resources and to easily obtain information for better decision making in the lab.

Quality, Compliance and ManufacturingOverview and New Features of BIOVIA QUMAS EQMS and EDMS (formerly QUMAS ProcessCompliance 4.0 and MyQUMAS app)Rooms 1 - 3

Chris FrostBIOVIA

This presentation will give an overview of BIOVIA QUMAS EDMS and EQMS capabilities, as well as, demonstrate new functionalities showing optional integration with the 3DEXPERIENCE platform, show how the fully interconnected system works now and advantages planned for the future releases.

15:30Collaborative and Predictive ScienceEffective Machine Learning for Big Data and Small DataGrand Ballroom 1

David NicolaidesBIOVIA

This talk presents the fruits of our efforts over the past year to enhance Pipeline Pilot’s support for large data sets and machine learning models that are accurate, memory-efficient, fast to build, and fast to make predictions. But in some cases, acquiring large amounts of data can be expensive. So we will also discuss the other extreme: enhancements to the building of models from data sets that are small or highly imbalanced.

IT Tech TrackPipeline Pilot Administrator Best PracticesRooms 7 - 8

Eddy Vande WaterBIOVIA

Best practices for Pipeline Pilot administrators. Topics discussed include: backup/restore, managing upgrades, roles and permissions, database configuration, end performance optimization.

Laboratory Informatics2018 Sneak Peek - Laboratory AnalysisRooms 5 - 6

Mats KihlenBIOVIA

Lab analysts need to access, use and analyze lab data to make decisions quickly on product characterization, quality or identity as well as on equipment status and usage. This presentation shows how the new

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16:00Collaborative and Predictive ScienceSequences and Tautomers - Challenges during Compound Registration and SearchingGrand Ballroom 1

Wolfgang Klute & Nick TomkinsonAstraZeneca

Biopolymer sequences: A joint project between AstraZeneca and BIOVIA delivered a component allowing the conversion of fully expanded biopolymers into SCSR. This seminal work was subsequently adapted by BIOVIA to close some key gaps in Pipeline Pilot and Direct for the handling of biopolymer sequence structures.Compound Identity and Tautomers. Generation of normalised chemistry databases requires generation of a tautomer-agnostic compound key. Approaches used for normalising the AstraZeneca compound database will be summarised along with some examples.

Laboratory InformaticsELN in a Big Data PerspectiveRooms 5 - 6

Morten MeldgaardChr. Hansen A/S

Chr. Hansen A/S implemented Electronic Laboratory Notebooks (ELN) in 2011. At that time the primary goal was to replace the paper-based notebooks to safekeep and share scientific knowledge. We wanted to establish an ELN with a feel and look of the paper version to maximize user acceptance and have a smooth implementation. In 2013 we were ready to take the next steps. The vision is to do data driven science in a completely new way using what is commonly known as big data. This requires us not only to embrace new IT technologies based on open source but also to work with the exponential developing

technologies in an untraditional way. After establishment of our first Hadoop cluster (big data storage) in 2013, we have built a dynamic Digital Lab with BIOVIA ELN and Pipeline Pilot as integrated and important applications.

Quality, Compliance and ManufacturingChallenges and Lessons Learned of using QUMAS EQMS and EDMS during periods of rapid change in a GCP compliant environmentRooms 1 - 3

Sarah HowardhVIVO

A story board of how a unique biopharm company implemented EDMS and EQMS and have used it over the last three years including the challenges and lessons learned along the way. Response to feedback from MHRA inspection and how the system supports quality culture and Quality KPIs. Specific challenges of managing change and growth will also be covered including frequent staff changes.



In this presentation it will be shown where the limitations come from and how they can be overcome. A proof-of-concept implementation will be shown that enables searching SureChEMBL by Bayesian model scores. This can answer questions like ‘what patent is most likely to cover my structure’ but also questions like ‘what is really new in this patent’.

IT Tech TrackGet Ready for the Cloud! A Strategy for Increasing Agility and Lowering Cost in Research and Lab InformaticsRooms 7 - 8

Frederic Bost & Guillaume PillardBIOVIA

Research organizations are trying to get ready for a transition to the cloud, driven by decreasing budgets, the complexity of maintaining internal infrastructure, and the need to collaborate across corporate boundaries. This talk will discuss considerations for planning such a move, for example, choosing between private and public cloud, how to keep data secure, and how to provide access to data to end users. We will present how these different considerations are handled as we move our lab and research informatics product lines into the cloud.

16:30Collaborative and Predictive ScienceSearching chemical structures in patents using Bayesian StatisticsGrand Ballroom 1

Willem van HoornExscientia

The Pipeline Pilot ‘Learn Molecular Categories’ component has for more than ten years enabled one-stop building of Bayesian models from datasets that contain multiple categories of compounds. A textbook usage is to build target activity models from chemogenomics databases like ChEMBL or internal screening databases owned by pharmaceutical companies. These models are typically built on hundreds of thousands of compounds that are member of hundreds maybe low thousands of categories. The Bayesian model captures the structural differences between the categories, i.e. what makes an inhibitor of enzyme X different from an antagonist of receptor Y, etc.In recent years databases like SureChEMBL have become available that contain claimed chemical structures from patents. Since novel structures are claimed in patents, it should be possible to build a Bayesian model capturing the difference between structures claimed in two patents even if the biological target is the same (like when both claim inhibitors of enzyme X). In this model the categories are patents, of which there are many more than targets in a chemogenomics database.However, the ‘Learn Molecular Categories’ component has limits on the number of compounds it can handle but more importantly limits on the number of categories. As a result building a patent model from SureChEMBL failed.

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Quality, Compliance and ManufacturingBIOVIA Enterprise Implementation Best PracticesRooms 1 - 3

Ken FormanBIOVIA

When deploying new enterprise-capable informatics platforms, businesses strive to optimize their investment. While return on investment timelines are dependent upon both the product usage as well as amount of investment, several criteria are key to optimization: getting the system built right first time; getting the system up and running as quickly as possible to start the ROI clock; identifying the team’s roles and time commitments to increase implementation efficiencies; and ensuring users are set to succeed upon GoLive through maintenance. This presentation seeks to share Discoverant implementation best practices towards these key endeavors.

Laboratory Informatics7 Years of Using BIOVIA Notebook at Karolinska InstitutetRooms 5 - 6

Cecilia Martinsson BjörkdahlKarolinska Institutet

Since the start in 2010, we have seen great progress and increase in the usage of the BIOVIA Notebook at Karolinska Institutet, a medical university in Stockholm, Sweden. But have also struggled with optimising it for use within the free-thinking world of academia. The setup at Karolinska Institutet has changed from the start with less than 100 users, to more than 3 500 today – and our support system and training has had to adapt. This presentation will show the progress made and what we have learnt along the way, as well as look into the future and what happens next as we move into our 8th year of electronic research documentation.



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Laboratory InformaticsManaging Inventory and Ensuring ComplianceRooms 5 - 6

Andrew MottBIOVIA

BIOVIA CISPro delivers all the necessary tools to accurately manage and report chemicals while meeting safety and regulatory requirements, including GHS chemical labeling, regulatory identification and reporting, mobile inventory control and Safety Data Sheet (SDS) management.

Quality, Compliance and ManufacturingEnterprise Analytics InitiativesRooms 1 - 3

Tim JeffersBIOVIA

Enterprise analytics initiatives are becoming commonplace in the Biopharma industry. This discussion covers the strategy and tactical issues to be addressed by the leadership of these initiatives in order to facilitate successful implementation and adoption. This discussion utilizes the Monitoring Maturity Model to drive home the issues and strategies.

THURSDAY 8 JUNE, 20179:00Collaborative and Predictive ScienceAutomated Compound Collection Enhancement: How Pipeline Pilot Preserved our SanityGrand Ballroom 1

Darren GreenGlaxoSmithKline

This presentation will discuss the challenges of building and maintaining a large, diverse compound collection. In particular, the talk will describe how GSK moved from a purely internal, chemistry driven strategy to a wholly externalised, informatics driven strategy. The use of Pipeline Pilot to automate key processes has enabled us to increase the efficiency and reduce the cost of our operation.

IT Tech TrackTaxonomy and Ontology Fundamentals for the LaboratoryRooms 7 - 8

Mike WilsonBIOVIA

Standardization of laboratory data via application of systems of classification and non-proprietary data formats makes it accessible and actionable. Learn how BIOVIA laboratory informatics solutions utilize industry standard taxonomies and ontologies to avoid creating dark data so that it can be easily shared and re-used in search, analytics, and collaborative projects.

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Laboratory Informatics2018 Sneak Peek - Lab ManagementRooms 5 - 6

Daniel DeAlmeidaBIOVIA

When experiments and/or tests need to be performed in the lab all related activities need to be assigned and scheduled accordingly. Laboratory managers need to plan and manage all the tasks related to the laboratory work and the required resources. This presentation will review the BIOVIA capabilities for task planning, resource management and scheduling of personnel and equipment.

Quality, Compliance and ManufacturingLeveraging Connected Data to Drive Quality and Impact ChangeRooms 1 - 3

Companies have complex organizational charts focused on their worldwide brands. Change Management ensures that all necessary approvals throughout the organization are obtained as part of an items release process. The change request process ensures that users follow a common process and the right level of analysis and oversight is employed. This session will expose how companies improve quality with proper impact analysis, leveraging both analytics and connected data to create an efficient change process.

9:30Collaborative and Predictive ScienceWhat to Make Next? Guiding Drug Design With in silico ModelingGrand Ballroom 1

Adrian StevensBIOVIA

What to make next? That’s a key question in every pharma drug design cycle. With all of the information now available, how do we make better informed decisions of what small or large molecule to make and test next. In this talk, we will discuss some of the past product development highlights in small molecule and large molecule design, which collectively provide the means to test new ideas. We will follow this, by outlining the future direction of drug design software in BIOVIA, showcasing case studies to provide proof-points of our strategy. Join us to experience how you will be able to better guide your project teams in their future decision making

IT Tech TrackHybrid-Cloud: Integrating Workflows Between On Prem and CloudRooms 7 - 8

Guillaume PaillardBIOVIA

Collaborative data collected in ScienceCloud often needs to be synced with on prem resources in order to be consumed by end users. This talk describes strategies for synchronizing chemistry and biology data between ScienceCloud and on prem data stores


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Laboratory InformaticsDigital Workflows to Compliment the CMAC Continuous Crystallisation WorkflowRooms 5 - 6

Murray RobertsonUniversity of Strathclyde

Enabling our researchers to efficiently capture, process, report and share data is a key goal of the ICT-CMAC project. Adding, meaningful context to these data is fundamental in building a structured knowledge base that is machine learning “ready”.This presentation will discuss the development of the CMAC digital workflows which are integrated within our electronic laboratory notebook (ELN) system. These can be used as a tool to assist in project collaboration, data sharing, analysis and reporting.A series of digital workflow protocols are being developed to walk researchers through each of the seven stages of the cooling crystallisation workflow. Decision points are automated to allow for a consistent and efficient route through the workflow. Decision making is also dynamic with thresholds adjusting as our knowledge of systems increase and more advanced machine learning models are implemented.A random forest machine learning technique to support solvent selection studies will also be discussed. As will its integration within the digital workflows allowing all researchers access to the model and to benefit from it without prior knowledge.

IT Tech TrackPipeline Pilot Developer Tips and TricksRooms 7 - 8

Eddy Vande WaterBIOVIA

How to get the most out of Pipeline Pilot if you are an IT developer. Topics include protocol publication (on prem and in the cloud), deploying protocols as RESTful web services, protocol validation, creating new components using Java / Perl / Python, and debugging.

Laboratory Informatics2018 Sneak Peak - Laboratory ExecutionRooms 5 - 6

Dan DeAlmeidaBIOVIA

Scientists need to efficiently execute and compliantly document all aspects of their laboratory work. They also need to securely store data related and share them for reviews, audits, collaboration and tech transfer. This presentation will give a preview of the upcoming release showing a seamless unified lab experience where lab analysts execute tasks in the lab, record results on mobile devices and review the data.

10:00Collaborative and Predictive ScienceBuilding an Analytical Interface to Allow the Querying of Genotypic and Phenotypic InformationGrand Ballroom 1

Dave BrownGenomics England

Genomics England have used the BIOVIA pipeline pilot product to create an environment to allow researchers to carry out combined queries of gentotypic and phenotypic information. This presentation will provide details of the use cases and how these where addressed using Pipeline Pilot and Biovia Professional Services.

IT Tech TrackCloud Security 101Rooms 7 - 8

Frederic BostBIOVIA

As corporations start planning for migrating infrastructure to the cloud, managing security is a key consideration. Security in the cloud can be tightly controlled, but it is important to understand the differences with on prem scenarios before embarking on this journey.

Quality, Compliance and ManufacturingUsing Discoverant with Process Compliance to Trigger DeviationsRooms 1 - 3

Larry Fiegland & Chris FrostBIOVIA

Discoverant is terrific at monitoring by exception, with email alerts and the Signal Monitoring Dashboard. But what happens when you do receive a red light alert? Join us for a live demonstration showing Discoverant working with ENOVIA QUMAS ProcessCompliance to help you manage alerts beyond the point of monitoring.

11:00Collaborative and Predictive ScienceBIOVIA Insight and Query Services Part of Lundbeck’s Research Data Access StrategyGrand Ballroom 1

Ludovic Otterbein & Plamen PetrovLundbeck

Lundbeck Research Informatics group is delivering tools and services to enable data capture, integration and management in order to provide intelligent access to research data to our scientists and facilitate decision making and knowledge generation. In this presentation, we will present the Lundbeck Research IT ecosystem and explain how BIOVIA Insight and query services have been implemented in house. Limitations and benefits of the tools will be exemplified with two cases study.



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11:30Collaborative and Predictive Science IT Tech TrackImplementation of Automated Processes at Philip Morris International R&D using Pipeline PilotGrand Ballroom 1

Elyette Martin & Pavel PospisilPhilip Morris

Philip Morris International R&D, Philip Morris Products S.A., Quai Jeanrenaud 5, 2000 Neuchâtel, Switzerland (part of Philip Morris International group of companies)One of the major work of the teams of analytical chemists at Philip Morris International R&D is to characterize and quantify the chemical composition of the aerosols generated by the new tobacco-heated products. Analytical chemists use various gas chromatographic instruments coupled to mass spectrometry (MS) that are each from different providers linked to different deconvolution and MS processing software. Hence, the team of Computational Chemistry at PMI developed a complex software platform called Computer-Assisted Structure Identification (CASI) that help to automate these processes, integrate them together, enhance the accuracy of the correct compound identification using scientific calculations, and provide instant reporting. Many elements of this platform are developed and successfully implemented using Pipeline Pilot (PP).We will present examples of PP protocols: at which points they are plugged-in to the CASI platform, what protocols are processing structures found in spectral libraries (standardization, boiling point calculation), how the SMART-coded rules help to determine correct internal standards and finally how the results are reported in user-desired formats.

12:00Plenary SessionInspirations to Make the Dream a RealityGrand Ballroom 2 - 3

John McCarthyVice President, Field Applications, Dassault Systèmes BIOVIA Center of Excellence

Industries are transforming. The convergence of health, wellness and sustainability are forging new innovations around the consumer experience. Digitalization and connectivity are at the heart of enabling these business transformations and innovations for consumers across the Life Science, Fast Moving Consumer Goods and Advanced Materials industries. What you, our customers, are doing inspire us to be the catalyst of change. Hear how working together, Dassault Systèmes and you, our customers, are making the dream a reality.

11:00 (Cont.)Quality, Compliance and ManufacturingUsing Discoverant with DocCompliance to Generate Templated Management/Monitoring ReportsRooms 1 - 3

Larry Fiegland & Chris FrostBIOVIA

Preparing reports, whether standard monitoring and performance reports for internal management or APQRs for the FDA, can be a very time-consuming process that pulls too many people away from tasks that add much more value. Join us for a live demonstration showing Discoverant working with Pipeline Pilot and ENOVIA QUMAS DocCompliance to help you perform the bulk of the work with the click of a button.

Laboratory InformaticsPanel Discussion – Digital Transformation in the Lab a Reality CheckRooms 5 - 6

Moderated by: Daniela JansenBIOVIA

Integration, standardization and harmonization are the strategies that laboratory operations are putting at the forefront to improve efficiency, compliance and innovation. But have the initiatives been successful so far? The panelists will discuss what has been proven to be valuable for their organizations and what else might be required to achieve a true digital transformation in the lab that is able to impact the organization’s overall progress.

Quality, Compliance and ManufacturingAsk the experts - Panel of BIOVIA experts discussing hot topics and current challengesRooms 1 - 3

Panelist: Ken Forman, Ken Hayward, Larry Fiegland and Chris Frost BIOVIA

Use this session to put BIOVIA experts on the spot and ask questions you never dared to ask before.

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Our 3DEXPERIENCE® platform powers our brand applications, serving 12 industries, and provides a rich portfolio of industry solution experiences.

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Documents

PROGRAM AGENDA - Accelrysaccelrys.com/.../biovia-forum/2017/eu/pdf/print-agenda.pdfdevelopment of scientific software for Life Science Research. Discngine has a strong expertise in